5-(Bromoacetyl)thiophene-2-carbonitrile

Base Information

• Chemical Name: 5-(Bromoacetyl)thiophene-2-carbonitrile
• CAS No.: 496879-84-6
• Molecular Formula: C7H4BrNOS
• Molecular Weight: 230.08200
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90459104
• Nikkaji Number: J1.430.445B
• Wikidata: Q82282726
• Mol file: 496879-84-6.mol

Synonyms:496879-84-6;5-(2-bromoacetyl)thiophene-2-carbonitrile;5-(Bromoacetyl)thiophene-2-carbonitrile;2-Cyano-5-(bromoacetyl)thiophene;SCHEMBL6284311;DTXSID90459104;LUKVPYYHLIYJSW-UHFFFAOYSA-N;WUA87984;MFCD09965520;AKOS015994937;5-(bromoacetyl)-thiophene-2-carbonitrile;BS-24940;CS-0205835;FT-0647142;F83006;J-516090

Chemical Property of 5-(Bromoacetyl)thiophene-2-carbonitrile

Chemical Property:

• Vapor Pressure: 4.32E-05mmHg at 25°C
• Boiling Point: 350.7oC at 760 mmHg
• Flash Point: 165.9oC
• PSA: 69.10000
• Density: 1.72g/cm3
• LogP: 2.19738
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.91970
• Heavy Atom Count: 11
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

5-(2-Bromo-acetyl)-thiophene-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)C(=O)CBr)C#N

Technology Process of 5-(Bromoacetyl)thiophene-2-carbonitrile

There total 3 articles about 5-(Bromoacetyl)thiophene-2-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

5-acetylthiophene-2-carbonitrile (88653-55-8) → 5-(2-bromoacetyl)thiophene-2-carbonitrile (496879-84-6)

Guidance literature:

With bromine; In 1,4-dioxane; diethyl ether; for 2h;

Reference yield:

5-acetylthiophene-2-carbonitrile (88653-55-8) → 5-(1-hydroxy-2-(methylamino)ethyl)thiophene-2-carbonitrile (556025-60-6) + 5-(2-bromoacetyl)thiophene-2-carbonitrile (496879-84-6)

Guidance literature:

With bromine; In 1,4-dioxane; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; diethyl ether;

Reference yield:

→ 5-(2-bromoacetyl)thiophene-2-carbonitrile (496879-84-6)

Guidance literature:

With tetra-N-butylammonium tribromide; In tetrahydrofuran; methanol; at 20 ℃; for 2h;

upstream raw materials:

5-acetylthiophene-2-carbonitrile

Downstream raw materials:

(R)-3-((bis(3-fluorophenyl)methoxy)carbonylamino)-1-(2-(5-cyanothiophen-2-yl)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane bromide

Refernces

• 1、 -. "TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS". Paragraph 0255-0260. . Retrieved 2022/01/07.
• 2、 -. "Pyridoquinoxaline antivirals". . . Retrieved 2008/06/13.